UCSF

ZINC60022830

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 28 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.49 3.63 -69.08 4 11 -1 167 426.456 8
Mid Mid (pH 6-8) -0.49 4.11 -79.91 5 11 0 168 427.464 8

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.